1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

C14H18N4O — CID 107050737

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1COc2ccccc21
InChIInChI=1S/C14H18N4O/c1-15-13(7-10-8-18(2)17-16-10)12-9-19-14-6-4-3-5-11(12)14/h3-6,8,12-13,15H,7,9H2,1-2H3
InChIKeyDSZPESGUFHWDOV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.12
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine

1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107050737) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107050737
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCNC(Cc1cn(C)nn1)C1COc2ccccc21
InChIInChI=1S/C14H18N4O/c1-15-13(7-10-8-18(2)17-16-10)12-9-19-14-6-4-3-5-11(12)14/h3-6,8,12-13,15H,7,9H2,1-2H3
InChIKeyDSZPESGUFHWDOV-UHFFFAOYSA-N
XLogP1.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049480
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064594
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064608
2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine
CID 107885094
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064143
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105262756
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105262730
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105262793
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 107049115
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049477

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107050737) is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is CNC(Cc1cn(C)nn1)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is DSZPESGUFHWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-13(7-10-8-18(2)17-16-10)12-9-19-14-6-4-3-5-11(12)14/h3-6,8,12-13,15H,7,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107050737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).